N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride

C25H26ClN3O5S — CID 18581727

About N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride

N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 18581727) has the molecular formula C25H26ClN3O5S and a molecular weight of 516.02 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride
• PubChem CID: 18581727
• Molecular Formula: C25H26ClN3O5S
• Molecular Weight: 516.02 g/mol
• Exact Mass: 515.13
• IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride
• SMILES: COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)nc2c1.Cl
• InChI: InChI=1S/C25H25N3O5S.ClH/c1-31-17-7-8-23-19(15-17)26-25(34-23)28(10-4-9-27-11-13-32-14-12-27)24(30)22-16-20(29)18-5-2-3-6-21(18)33-22;/h2-3,5-8,15-16H,4,9-14H2,1H3;1H
• InChIKey: TTXZSKIAZXMOLP-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 85.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.02
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride?

The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride (CID 18581727) is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride?

The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride is COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)nc2c1.Cl.

What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride?

The InChIKey is TTXZSKIAZXMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S.ClH/c1-31-17-7-8-23-19(15-17)26-25(34-23)28(10-4-9-27-11-13-32-14-12-27)24(30)22-16-20(29)18-5-2-3-6-21(18)33-22;/h2-3,5-8,15-16H,4,9-14H2,1H3;1H.

What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride?

N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 516.02 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 18581727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).